Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Adding more combinations in spd-spd dI/dV method #8

Open
ondrejkrejci opened this issue Nov 24, 2022 · 0 comments
Open

Adding more combinations in spd-spd dI/dV method #8

ondrejkrejci opened this issue Nov 24, 2022 · 0 comments
Labels
enhancement New feature or request

Comments

@ondrejkrejci
Copy link
Contributor

Some of the spd vs. spd orbitals are clearly missing, as the formulas are simply too long, to be rewritten properly.
One could easily use the numerical derivation (with amplitude of something like 0.01 Å) as it is done in the IETS C++ procedure here:
https://github.com/Probe-Particle/PPSTM/blob/master/cpp/ProbeSTM_spd.cpp#L200
To add those combinations for dIdV procedures, that are missing.

@ondrejkrejci ondrejkrejci added the enhancement New feature or request label Nov 24, 2022
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
enhancement New feature or request
Projects
None yet
Development

No branches or pull requests

1 participant